============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 3 1.000 15.718 23.264 56.092 -99.200 -91.000 PHE 11 1.000 9.443 32.745 44.739 -99.200 -91.000 TYR 43 0.840 1.014 19.769 56.247 -99.200 -91.000 PHE 51 1.000 -1.584 38.734 55.451 -99.200 -91.000 TYR 65 0.840 7.466 21.360 59.663 -99.200 -91.000 TYR 67 0.840 16.798 26.295 60.302 -99.200 -91.000 TYR 82 0.840 -0.426 36.165 61.789 -99.200 -91.000 PHE 85 1.000 3.146 40.173 66.793 -99.200 -91.000 PHE 89 1.000 11.488 30.549 66.226 -99.200 -91.000 TYR 90 0.840 17.043 38.723 61.659 -99.200 -91.000 PHE 96 1.000 23.003 35.029 46.122 -99.200 -91.000 PHE 100 1.000 21.233 25.541 57.987 -99.200 -91.000 HIS 106 0.900 27.770 32.309 55.886 -99.200 -91.000 PHE 110 1.000 22.642 38.448 43.573 -99.200 -91.000 PHE 111 1.000 20.540 45.573 50.591 -99.200 -91.000 TYR 112 0.840 21.704 48.974 46.653 -99.200 -91.000 PHE 160 1.000 -9.789 49.222 39.920 -99.200 -91.000